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Substance Name: 1,4-Piperazinedicarboxylic acid, diethyl ester
RN: 5470-28-0
InChIKey: NAEAAGULDNVNCW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H18-N2-O4

Molecular Weight

  • 230.262
 
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Names and Synonyms

Synonyms

  • 1,4-Dicarbethoxy piperazine
  • 4-23-00-00254 (Beilstein Handbook Reference)
  • AI3-17493
  • BRN 0216109
  • EINECS 226-801-7
  • NSC 26298

Systematic Names

  • 1,4-Piperazinedicarboxylic acid, diethyl ester
  • Diethyl piperazine-1,4-dicarboxylate

Registry Numbers

CAS Registry Number

  • 5470-28-0

System Generated Number

  • 0005470280

Structure Descriptors

InChI

1S/C10H18N2O4/c1-3-15-9(13)11-5-7-12(8-6-11)10(14)16-4-2/h3-8H2,1-2H3

InChIKey

NAEAAGULDNVNCW-UHFFFAOYSA-N

Smiles

O=C(N1CCN(CC1)C(=O)OCC)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 500mg/kg (500mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 47 deg C   EXP
Boiling Point 315 deg C   EXP
log P (octanol-water) 1.260 (none)   EST
Water Solubility 4.30E+04 mg/L 25 EXP
Atmospheric OH Rate Constant 4.92E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.